Tips for Microkinetic Modeling: Difference between revisions
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go back to [[Main Page]], [[Group Pages]] | go back to [[Main Page]], [[Group Pages]], [Feli Maseras and Goup]] | ||
Please have a look at | |||
Programs: | |||
* Tenua (very bad don't use it) | |||
* AchuChem: reliable and simple but not many options available. | |||
* Copasi: reliable and with lots of options | |||
Tips: | |||
* You can not do "never ever" trimolecular reactions. If you have a reaction like A + B + CAT -> D. You will have to split it in two reactions ( i.e. A + CAT -> ACAT and ACAT+B -> D or similar).Acuchem will fail to do it giving and error and Copasi will create a stupid new variable called B+CAT. | |||
* You might encounter negative concentrations!!! | |||
Revision as of 09:31, 25 October 2018
go back to Main Page, Group Pages, [Feli Maseras and Goup]]
Please have a look at
Programs:
- Tenua (very bad don't use it)
- AchuChem: reliable and simple but not many options available.
- Copasi: reliable and with lots of options
Tips:
- You can not do "never ever" trimolecular reactions. If you have a reaction like A + B + CAT -> D. You will have to split it in two reactions ( i.e. A + CAT -> ACAT and ACAT+B -> D or similar).Acuchem will fail to do it giving and error and Copasi will create a stupid new variable called B+CAT.
- You might encounter negative concentrations!!!